REMARK Name = BDB011857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.432 -0.137 -0.686 0.00 0.00 +0.180 C ATOM 2 C LIG 1 1.703 -1.211 0.383 0.00 0.00 +0.108 C ATOM 3 C LIG 1 3.107 -1.806 0.158 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.709 -2.309 0.443 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.525 -3.122 1.570 0.00 0.00 +0.217 C ATOM 6 O LIG 1 -0.126 -4.169 1.571 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 1.113 -2.627 2.871 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.110 -2.690 -0.799 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -0.734 -1.795 -1.499 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -1.340 -2.230 -2.689 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -1.126 -3.521 -3.174 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -0.315 -4.404 -2.470 0.00 0.00 +0.002 A ATOM 13 N LIG 1 -1.025 -0.491 -0.983 0.00 0.00 -0.264 N ATOM 14 C LIG 1 0.295 -3.993 -1.285 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -0.014 0.366 -0.549 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -0.233 1.498 -0.108 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 2.751 1.754 -1.608 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.323 1.016 -0.523 0.00 0.00 -0.301 N ATOM 19 H LIG 1 2.232 1.566 0.329 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 2.636 1.367 -2.767 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 3.318 3.142 -1.221 0.00 0.00 +0.137 C ATOM 22 C LIG 1 4.111 3.774 -2.362 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 5.312 2.360 -0.001 0.00 0.00 +0.101 C ATOM 24 N LIG 1 4.049 3.090 0.072 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 4.249 4.047 0.363 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 13 26 ATOM 26 C LIG 1 -2.401 0.028 -1.047 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 -3.100 0.162 0.310 0.00 0.00 -0.019 A ATOM 28 C LIG 1 -3.347 1.457 0.896 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -4.003 1.528 2.154 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -4.272 2.768 2.761 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.909 3.963 2.151 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.267 3.930 0.925 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.394 0.361 2.811 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.173 -0.884 2.238 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.992 2.702 0.313 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -3.555 -1.004 0.987 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -3.393 -2.402 0.449 0.00 0.00 +0.044 C ENDBRANCH 26 27 ENDBRANCH 13 26 TORSDOF 5